6-(2-chloranylethanoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-chloranylethanoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-(2-chloroacetyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-(2-chloro-1-oxoethyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(2-chloroacetyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-(2-chloroacetyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C16H20ClN2O3+ MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=C(C=C3)C(=O)CCl

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=C(C=C3)C(=O)CCl

InChI

InChI=1S/C16H19ClN2O3/c17-10-14(20)12-3-4-15-13(9-12)19(16(21)11-22-15)8-7-18-5-1-2-6-18/h3-4,9H,1-2,5-8,10-11H2/p+1